(2S,5aS,8aR)-6-(4-Methoxybenzyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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Systematic / IUPAC Name: (2S,5aS,8aR)-6-[(4-Methoxyphenyl)methyl]-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference10278

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-6-[(4-methoxyphenyl)methyl]-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391150

Formula: C23H34N4O4

Spectral Data

(2S,5aS,8aR)-6-(4-Methoxybenzyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 660
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 8:45:31 AM
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Identificators

InChI InChI=1S/C23H34N4O4/c1-25-18(5-8-21(28)26-11-13-31-14-12-26)15-24-23(29)22-20(25)9-10-27(22)16-17-3-6-19(30-2)7-4-17/h3-4,6-7,18,20,22H,5,8-16H2,1-2H3,(H,24,29)/t18-,20+,22-/m0/s1
InChI Key JQLGJSZODRLPFH-DWLFOUALSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCOCC3)CC4=CC=C(C=C4)OC
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-6-[(4-methoxyphenyl)methyl]-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391150

In Other Databases

ChemSpider 21383243
PubChem 45361078